trimethyl-[3-[4-[2-(trimethylazaniumyl)ethyl]phenoxy]propyl]azanium; tris(fluoranyl)methanesulfonate

Systemtic Name: trimethyl-[3-[4-[2-(trimethylazaniumyl)ethyl]phenoxy]propyl]azanium; tris(fluoranyl)methanesulfonate Openeye Name: trifluoromethanesulfonate; trimethyl-[3-[4-[2-(trimethylammonio)ethyl]phenoxy]propyl]ammonium CAS Name: trifluoromethanesulfonate; trimethyl-[3-[4-[2-(trimethylammonio)ethyl]phenoxy]propyl]ammonium IUPAC Name: trifluoromethanesulfonate; trimethyl-[3-[4-[2-(trimethylazaniumyl)ethyl]phenoxy]propyl]azanium Traditional Name: trimethyl-[3-[4-[2-(trimethylammonio)ethyl]phenoxy]propyl]ammonium ditriflate Formula: C19H32F6N2O7S2 MolecularWeight: 578.586999

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCOC1=CC=C(C=C1)CC[N+](C)(C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CCCOC1=CC=C(C=C1)CC[N+](C)(C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C17H32N2O.2CHF3O3S/c1-18(2,3)13-7-15-20-17-10-8-16(9-11-17)12-14-19(4,5)6;2*2-1(3,4)8(5,6)7/h8-11H,7,12-15H2,1-6H3;2*(H,5,6,7)/q+2;;/p-2